methyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4167-0082 |
| Compound Name: | methyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C19 H16 O7 |
| Smiles: | CC1(C)OC(C(=Cc2ccc(c3cccc(c3)C(=O)OC)o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4986 |
| logD: | 3.4986 |
| logSw: | -3.6539 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.188 |
| InChI Key: | CZADAQYJWXOVKI-UHFFFAOYSA-N |